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Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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1 – 15 of 113 results
1
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3-Nitrobenzoic acid, 99%

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

PubChem CID 8497
CAS 121-92-6
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007251
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
2
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4-Bromo-3-nitrobenzoic acid, 95%

CAS: 6319-40-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00272137 InChI Key: RVCTZJVBWNFYRU-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # PubChem CID: 232986 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br

PubChem CID 232986
CAS 6319-40-0
Molecular Weight (g/mol) 246.016
MDL Number MFCD00272137
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br
Synonym 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid #
InChI Key RVCTZJVBWNFYRU-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
3
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Methyl 3-fluoro-4-nitrobenzoate, 97%

CAS: 185629-31-6 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD08444027 InChI Key: FKMZNQQOPCCUTD-UHFFFAOYSA-N PubChem CID: 592761 IUPAC Name: methyl 3-fluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F

PubChem CID 592761
CAS 185629-31-6
Molecular Weight (g/mol) 199.137
MDL Number MFCD08444027
SMILES COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
IUPAC Name methyl 3-fluoro-4-nitrobenzoate
InChI Key FKMZNQQOPCCUTD-UHFFFAOYSA-N
Molecular Formula C8H6FNO4
4

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 7319
CAS 96-98-0
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007174
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI Key BBEWSMNRCUXQRF-UHFFFAOYSA-N
Molecular Formula C8H7NO4
5
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Nitroterephthalic acid, 99+%

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.13
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
6
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3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

PubChem CID 69043
CAS 603-11-2
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007138
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Synonym 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid
InChI Key KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula C8H5NO6
7
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Methyl 2-hydroxy-3-nitrobenzoate, 98%

CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O

PubChem CID 596904
CAS 22621-41-6
Molecular Weight (g/mol) 197.146
MDL Number MFCD00272263
SMILES COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
Synonym methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l
InChI Key NIBVYEHAFBEVFI-UHFFFAOYSA-N
Molecular Formula C8H7NO5
8
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4-Methoxycarbonyl-2-nitrobenzeneboronic acid, 97%

CAS: 85107-55-7 Molecular Formula: C8H8BNO6 Molecular Weight (g/mol): 224.963 MDL Number: MFCD01632202 InChI Key: SFEJGHJCGQNFQC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-2-nitrophenyl boronic acid,4-methoxycarbonyl-2-nitrophenylboronic acid,4-methoxycarbonyl-2-nitrobenzeneboronic acid,methyl 4-dihydroxyboranyl-3-nitrobenzoate,2-nitro-4-methoxycarbonyl phenylboronic acid,4-methoxycarbonyl-2-nitro-phenyl boronic acid,methyl 4-borono-3-nitrobenzoate,acmc-209q4d PubChem CID: 2773493 IUPAC Name: (4-methoxycarbonyl-2-nitrophenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O

PubChem CID 2773493
CAS 85107-55-7
Molecular Weight (g/mol) 224.963
MDL Number MFCD01632202
SMILES B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O
Synonym 4-methoxycarbonyl-2-nitrophenyl boronic acid,4-methoxycarbonyl-2-nitrophenylboronic acid,4-methoxycarbonyl-2-nitrobenzeneboronic acid,methyl 4-dihydroxyboranyl-3-nitrobenzoate,2-nitro-4-methoxycarbonyl phenylboronic acid,4-methoxycarbonyl-2-nitro-phenyl boronic acid,methyl 4-borono-3-nitrobenzoate,acmc-209q4d
IUPAC Name (4-methoxycarbonyl-2-nitrophenyl)boronic acid
InChI Key SFEJGHJCGQNFQC-UHFFFAOYSA-N
Molecular Formula C8H8BNO6
9
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2-Amino-5-nitrobenzoic acid, 98%

CAS: 616-79-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00017039 InChI Key: RUCHWTKMOWXHLU-UHFFFAOYSA-N Synonym: 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid PubChem CID: 12032 ChEBI: CHEBI:61280 IUPAC Name: 2-amino-5-nitrobenzoic acid SMILES: NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O

PubChem CID 12032
CAS 616-79-5
Molecular Weight (g/mol) 182.14
ChEBI CHEBI:61280
MDL Number MFCD00017039
SMILES NC1=CC=C(C=C1C(O)=O)[N+]([O-])=O
Synonym 5-nitroanthranilic acid,benzoic acid, 2-amino-5-nitro,2-amino-5-nitro-benzoic acid,2-amino-5-nitrobenzoicacid,anthranilic acid, 5-nitro,1-amino-2-carboxy-4-nitrobenzene,2-amino-5-nitro-benzoicacid,pubchem14422,acmc-209mvd,5-nitro anthranilic acid
IUPAC Name 2-amino-5-nitrobenzoic acid
InChI Key RUCHWTKMOWXHLU-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
10
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Methyl 4-amino-3-nitrobenzoate, 97%

CAS: 3987-92-6 Molecular Formula: C8H8N2O4 Molecular Weight (g/mol): 196.162 MDL Number: MFCD00017562 InChI Key: HNTLUEZVPLRQEV-UHFFFAOYSA-N Synonym: methyl 4-amino-3-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-nitro-, methyl ester,4-amino-3-nitro-benzoic acid methyl ester,4-methoxycarbonyl-2-nitroaniline,4-amino-3-nitromethylbenzoate,methyl 3-nitro-4-aminobenzoate,2-amino-5-methoxycarbonyl nitrobenzene,3-nitro-4-aminobenzoic acid methyl ester,4-amino-3-nitrobenzoicacidmethylester,acmc-209j8j PubChem CID: 3941008 IUPAC Name: methyl 4-amino-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

PubChem CID 3941008
CAS 3987-92-6
Molecular Weight (g/mol) 196.162
MDL Number MFCD00017562
SMILES COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]
Synonym methyl 4-amino-3-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-nitro-, methyl ester,4-amino-3-nitro-benzoic acid methyl ester,4-methoxycarbonyl-2-nitroaniline,4-amino-3-nitromethylbenzoate,methyl 3-nitro-4-aminobenzoate,2-amino-5-methoxycarbonyl nitrobenzene,3-nitro-4-aminobenzoic acid methyl ester,4-amino-3-nitrobenzoicacidmethylester,acmc-209j8j
IUPAC Name methyl 4-amino-3-nitrobenzoate
InChI Key HNTLUEZVPLRQEV-UHFFFAOYSA-N
Molecular Formula C8H8N2O4
11
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2-Methyl-3,5-dinitrobenzoic acid, 97+%

CAS: 28169-46-2 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.14 MDL Number: MFCD00007161 InChI Key: CDVNZMKTJIBBBV-UHFFFAOYSA-N Synonym: 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro PubChem CID: 98824 IUPAC Name: 2-methyl-3,5-dinitrobenzoic acid SMILES: CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

PubChem CID 98824
CAS 28169-46-2
Molecular Weight (g/mol) 226.14
MDL Number MFCD00007161
SMILES CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Synonym 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro
IUPAC Name 2-methyl-3,5-dinitrobenzoic acid
InChI Key CDVNZMKTJIBBBV-UHFFFAOYSA-N
Molecular Formula C8H6N2O6
12

5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%

CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.31 MDL Number: MFCD00153851 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid SMILES: OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O

PubChem CID 4549
CAS 107254-86-4
Molecular Weight (g/mol) 300.31
ChEBI CHEBI:34457
MDL Number MFCD00153851
SMILES OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O
Synonym nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814
IUPAC Name 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid
InChI Key WBSMIPAMAXNXFS-UHFFFAOYSA-N
Molecular Formula C16H16N2O4
13
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3,5-Dimethyl-4-nitrobenzoic acid, 97%

CAS: 3095-38-3 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014699 InChI Key: RBAVFNOGEPCOQI-UHFFFAOYSA-N PubChem CID: 249413 IUPAC Name: 3,5-dimethyl-4-nitrobenzoic acid SMILES: CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O

PubChem CID 249413
CAS 3095-38-3
Molecular Weight (g/mol) 195.17
MDL Number MFCD00014699
SMILES CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O
IUPAC Name 3,5-dimethyl-4-nitrobenzoic acid
InChI Key RBAVFNOGEPCOQI-UHFFFAOYSA-N
Molecular Formula C9H9NO4
14
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4-Nitro-2-(trifluoromethyl)benzoic acid, 97%

CAS: 320-37-6 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.12 MDL Number: MFCD04039246 InChI Key: BPCKZQCTLCTDST-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid PubChem CID: 2782737 IUPAC Name: 4-nitro-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F

PubChem CID 2782737
CAS 320-37-6
Molecular Weight (g/mol) 235.12
MDL Number MFCD04039246
SMILES OC(=O)C1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
Synonym 4-nitro-2-trifluoromethyl benzoic acid,2-carboxy-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl-benzoic acid,4-nitro-2-trifluoromethylbenzoic acid,benzoic acid, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzoic acid,pubchem1342,ksc496i1p,rarechem al bo 1444,2-trifluoromethyl-4-nitrobenzoic acid
IUPAC Name 4-nitro-2-(trifluoromethyl)benzoic acid
InChI Key BPCKZQCTLCTDST-UHFFFAOYSA-N
Molecular Formula C8H4F3NO4
15
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2,6-Dimethoxy-3-nitrobenzoic acid, 97%

CAS: 55776-17-5 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017324 InChI Key: YIKBQFPTPKEFSM-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro PubChem CID: 3085094 IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O

PubChem CID 3085094
CAS 55776-17-5
Molecular Weight (g/mol) 227.172
MDL Number MFCD00017324
SMILES COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O
Synonym 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro
IUPAC Name 2,6-dimethoxy-3-nitrobenzoic acid
InChI Key YIKBQFPTPKEFSM-UHFFFAOYSA-N
Molecular Formula C9H9NO6